N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide

C24H24N2O3 — CID 75469859

IUPACN-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C24H24N2O3/c1-17(25-23(27)20-12-14-29-16-20)24(28)26-13-11-19-9-5-6-10-21(19)22(26)15-18-7-3-2-4-8-18/h2-10,12,14,16-17,22H,11,13,15H2,1H3,(H,25,27)
InChIKeyKVENKNMGBSUUPT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 75469859) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID75469859
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C24H24N2O3/c1-17(25-23(27)20-12-14-29-16-20)24(28)26-13-11-19-9-5-6-10-21(19)22(26)15-18-7-3-2-4-8-18/h2-10,12,14,16-17,22H,11,13,15H2,1H3,(H,25,27)
InChIKeyKVENKNMGBSUUPT-UHFFFAOYSA-N
XLogP3.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide (CID 75469859) is N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2C1Cc1ccccc1.
What is the InChIKey of N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is KVENKNMGBSUUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17(25-23(27)20-12-14-29-16-20)24(28)26-13-11-19-9-5-6-10-21(19)22(26)15-18-7-3-2-4-8-18/h2-10,12,14,16-17,22H,11,13,15H2,1H3,(H,25,27).
What are the key properties of N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 75469859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).